| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
L |
408 |
111 |
21519 |
◊ |
S |
x,y,z |
1_555 |
400 |
101 |
13061 |
3921.4 |
-37.9 |
0.033 |
60 |
8 |
0 |
0.347 |
2 |
|
M |
407 |
110 |
21437 |
◊ |
T |
x,y,z |
1_555 |
393 |
102 |
13009 |
3910.6 |
-38.5 |
0.029 |
60 |
8 |
0 |
0.347 |
| Average: |
3916.0 |
-38.2 |
0.031 |
60 |
8 |
0 |
0.347 |
| 2 |
3 |
|
M |
78 |
19 |
21437 |
◊ |
S |
x,y,z |
1_555 |
92 |
24 |
13061 |
796.8 |
-12.7 |
0.039 |
4 |
1 |
0 |
0.113 |
4 |
|
L |
79 |
19 |
21519 |
◊ |
T |
x,y,z |
1_555 |
93 |
24 |
13009 |
793.6 |
-12.4 |
0.048 |
4 |
1 |
0 |
0.113 |
| Average: |
795.2 |
-12.6 |
0.044 |
4 |
1 |
0 |
0.113 |
| 3 |
5 |
|
T |
73 |
21 |
13009 |
◊ |
S |
x,y,z |
1_555 |
73 |
21 |
13061 |
629.3 |
-1.0 |
0.717 |
9 |
0 |
0 |
0.011 |
| 4 |
6 |
|
L |
57 |
16 |
21519 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
56 |
17 |
21437 |
514.9 |
1.4 |
0.769 |
8 |
9 |
0 |
0.000 |
| 5 |
7 |
|
M |
45 |
13 |
21437 |
◊ |
L |
x,y,z |
1_555 |
45 |
13 |
21519 |
409.1 |
-6.1 |
0.092 |
9 |
0 |
0 |
0.023 |
| 6 |
8 |
|
[LMT]T:404 |
14 |
1 |
479 |
f |
T |
x,y,z |
1_555 |
43 |
17 |
13009 |
309.0 |
6.1 |
0.277 |
0 |
0 |
0 |
0.000 |
9 |
|
[LMT]S:404 |
14 |
1 |
477 |
f |
S |
x,y,z |
1_555 |
42 |
17 |
13061 |
308.8 |
6.1 |
0.273 |
0 |
0 |
0 |
0.000 |
| Average: |
308.9 |
6.1 |
0.275 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
M |
34 |
13 |
21437 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
26 |
13 |
21519 |
232.8 |
-0.5 |
0.559 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
S |
28 |
7 |
13061 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
28 |
7 |
21437 |
210.8 |
-0.9 |
0.526 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[SF4]S:401 |
8 |
1 |
309 |
f |
S |
x,y,z |
1_555 |
25 |
13 |
13061 |
186.5 |
-20.3 |
0.575 |
0 |
0 |
0 |
0.157 |
13 |
|
[SF4]T:401 |
8 |
1 |
311 |
f |
T |
x,y,z |
1_555 |
26 |
13 |
13009 |
186.4 |
-20.3 |
0.450 |
0 |
0 |
0 |
0.157 |
| Average: |
186.4 |
-20.3 |
0.513 |
0 |
0 |
0 |
0.157 |
| 10 |
14 |
|
L |
18 |
5 |
21519 |
◊ |
M |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
6 |
21437 |
184.3 |
1.2 |
0.603 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[F3S]S:402 |
7 |
1 |
301 |
f |
S |
x,y,z |
1_555 |
31 |
14 |
13061 |
178.2 |
-17.3 |
0.377 |
2 |
0 |
0 |
0.141 |
16 |
|
[F3S]T:402 |
7 |
1 |
299 |
f |
T |
x,y,z |
1_555 |
31 |
14 |
13009 |
177.3 |
-17.2 |
0.387 |
2 |
0 |
0 |
0.141 |
| Average: |
177.8 |
-17.3 |
0.382 |
2 |
0 |
0 |
0.141 |
| 12 |
17 |
|
[SF3]S:403 |
7 |
1 |
327 |
f |
S |
x,y,z |
1_555 |
25 |
15 |
13061 |
170.0 |
-23.0 |
0.266 |
2 |
0 |
0 |
0.185 |
18 |
|
[SF3]T:403 |
7 |
1 |
326 |
f |
T |
x,y,z |
1_555 |
24 |
15 |
13009 |
169.1 |
-22.9 |
0.270 |
2 |
0 |
0 |
0.185 |
| Average: |
169.5 |
-23.0 |
0.268 |
2 |
0 |
0 |
0.185 |
| 13 |
19 |
|
M |
15 |
7 |
21437 |
x |
M |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
6 |
21437 |
156.8 |
0.8 |
0.727 |
3 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[FCO]M:601 |
7 |
1 |
262 |
f |
M |
x,y,z |
1_555 |
16 |
10 |
21437 |
126.2 |
-1.7 |
0.269 |
0 |
0 |
0 |
0.013 |
21 |
|
[FCO]L:601 |
7 |
1 |
263 |
f |
L |
x,y,z |
1_555 |
16 |
10 |
21519 |
126.1 |
-1.7 |
0.276 |
0 |
0 |
0 |
0.013 |
| Average: |
126.2 |
-1.7 |
0.273 |
0 |
0 |
0 |
0.013 |
| 15 |
22 |
|
T |
13 |
5 |
13009 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
21519 |
121.9 |
2.5 |
0.876 |
2 |
1 |
0 |
0.000 |
| 16 |
23 |
|
S |
10 |
2 |
13061 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
21437 |
92.1 |
-0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
24 |
|
L |
7 |
2 |
21519 |
◊ |
T |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
2 |
13009 |
69.6 |
-0.3 |
0.407 |
0 |
0 |
0 |
0.000 |
| Average: |
80.8 |
-0.3 |
0.496 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[CL]T:405 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
9 |
13009 |
74.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.093 |
26 |
|
[CL]S:405 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
9 |
13061 |
73.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
73.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.093 |
| 18 |
27 |
|
[CL]S:406 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
7 |
13061 |
69.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.086 |
28 |
|
[CL]T:406 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
13 |
7 |
13009 |
68.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
69.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.086 |
| 19 |
29 |
|
[SO4]T:409 |
4 |
1 |
185 |
f |
T |
x,y,z |
1_555 |
7 |
3 |
13009 |
68.8 |
-8.0 |
0.946 |
3 |
0 |
0 |
0.065 |
| 20 |
30 |
|
[SO4]S:407 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
21519 |
68.6 |
-9.7 |
0.685 |
2 |
0 |
0 |
0.074 |
| 21 |
31 |
|
[SO4]T:408 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
9 |
4 |
21437 |
67.9 |
-9.5 |
0.646 |
2 |
0 |
0 |
0.080 |
| 22 |
32 |
|
[LI]L:604 |
1 |
1 |
130 |
f |
L |
x,y,z |
1_555 |
13 |
7 |
21519 |
62.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.028 |
| 23 |
33 |
|
[SO4]M:604 |
4 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
7 |
5 |
21437 |
57.1 |
-6.2 |
0.938 |
2 |
0 |
0 |
0.055 |
| 24 |
34 |
|
[CL]T:407 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
10 |
4 |
13009 |
57.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.055 |
| 25 |
35 |
|
[SF3]S:403 |
3 |
1 |
327 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
21519 |
52.6 |
-4.4 |
0.828 |
0 |
0 |
0 |
0.023 |
36 |
|
[SF3]T:403 |
3 |
1 |
326 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
21437 |
51.5 |
-4.3 |
0.823 |
0 |
0 |
0 |
0.023 |
| Average: |
52.0 |
-4.3 |
0.826 |
0 |
0 |
0 |
0.023 |
| 26 |
37 |
|
[MG]M:603 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
21437 |
52.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.074 |
38 |
|
[MG]L:603 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
21519 |
52.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
52.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.074 |
| 27 |
39 |
|
T |
5 |
1 |
13009 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
21519 |
46.3 |
-0.6 |
0.215 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[SO4]T:408 |
4 |
1 |
185 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
5 |
4 |
21519 |
44.3 |
-4.3 |
0.948 |
1 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[SO4]T:408 |
4 |
1 |
185 |
◊ |
T |
x,y,z |
1_555 |
3 |
1 |
13009 |
41.4 |
-3.8 |
0.974 |
2 |
0 |
0 |
0.022 |
| 30 |
42 |
|
[SO4]S:407 |
4 |
1 |
186 |
◊ |
S |
x,y,z |
1_555 |
2 |
1 |
13061 |
41.1 |
-3.7 |
0.982 |
2 |
0 |
0 |
0.024 |
| 31 |
43 |
|
[F3S]S:402 |
3 |
1 |
301 |
◊ |
L |
x,y,z |
1_555 |
5 |
3 |
21519 |
37.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
44 |
|
[F3S]T:402 |
3 |
1 |
299 |
◊ |
M |
x,y,z |
1_555 |
5 |
3 |
21437 |
37.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
37.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 32 |
45 |
|
M |
4 |
2 |
21437 |
◊ |
S |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
13061 |
33.4 |
0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
| 33 |
46 |
|
[3NI]M:602 |
1 |
1 |
115 |
f |
[FCO]M:601 |
x,y,z |
1_555 |
3 |
1 |
262 |
33.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.048 |
47 |
|
[3NI]L:602 |
1 |
1 |
115 |
f |
[FCO]L:601 |
x,y,z |
1_555 |
3 |
1 |
263 |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
33.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| 34 |
48 |
|
S |
2 |
1 |
13061 |
◊ |
[SO4]M:604 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
30.5 |
-2.8 |
0.959 |
1 |
0 |
0 |
0.000 |
| 35 |
49 |
|
L |
1 |
1 |
21519 |
◊ |
T |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
13009 |
27.0 |
-0.2 |
0.186 |
0 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[CL]S:406 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
21519 |
12.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
51 |
|
[CL]T:406 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
21437 |
12.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
12.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 37 |
52 |
|
L |
3 |
2 |
21519 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
21437 |
8.1 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
| 38 |
53 |
|
[CL]T:407 |
1 |
1 |
125 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
21519 |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
54 |
|
M |
1 |
1 |
21437 |
◊ |
T |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
13009 |
3.7 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
| 40 |
55 |
|
L |
2 |
2 |
21519 |
x |
L |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
21519 |
3.2 |
-0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
|